Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28572642 | 0.86 | KDM1A (0.41) | ALDH1A1CYP1A2GAAKDM1AMAOA | |
| SCHEMBL2413605 | 0.77 | PARP14 (0.34) | P2RX3 | |
| SCHEMBL28577438 | 0.73 | CTSS (0.43) | MEN1KMT2ACCR5 | |
| SCHEMBL6267837 | 0.73 | HTR2A (0.44) | CYP1A2GAA | |
| SCHEMBL28567252 | 0.72 | CTSS (0.32) | GCKCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2650458 | 0.72 | SLC6A9 (0.40) | MEN1KMT2AGCKSMN1; SMN2CASR | |
| SCHEMBL22519226 | 0.71 | CYP1A2 (0.50) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL28568324 | 0.71 | ALDH1A1 (0.46) | SLC6A4KDM4EALDH1A1TSHRGCK | |
| SCHEMBL29706726 | 0.69 | CYP2D6 (0.46) | CYP1A2GAA | |
| SCHEMBL29706727 | 0.69 | GAA (0.47) | GCKCYP1A2GAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320481-B | Carboxylic acid NHPI ester decarboxylation alkylation method and application thereof in synthesis of diaryl derivatives | 南京大学 | 2021-01-12 | — | — | CN | disclosed |